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CMakeModules/H28-Sep-2021-208190

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README.rstH A D28-Sep-20211.9 KiB4835

README.rst

1|Codacy Badge| |CI| |Docker| |DOI|
2
3This is VOTCA's next generation build system for CSG and XTP. It allows
4you to easily install:
5
6-  VOTCA-CSG, a library which provides tools to develop coarse-grained
7   potentials from atomistic simulation data
8-  VOTCA-XTP, a library designed to determine electronic properties of
9   organic materials from atomistic MD-trajectories.
10
11Usage:
12
13::
14
15    prefix=WHERE/TO/INSTALL/VOTCA
16    version=master # or 'stable' or 'v2021.2'
17    git clone -b ${version} --recursive https://github.com/votca/votca.git
18    cmake -B builddir -DBUILD_XTP=ON -DCMAKE_INSTALL_PREFIX=${prefix} votca
19    cmake --build builddir --parallel <number of cores>
20    cmake --build builddir --target install
21
22Using this code via docker:
23
24::
25
26    docker pull votca/votca
27    docker run -it votca/votca /bin/bash
28
29For further details see:
30
311. `Installation <share/doc/INSTALL.rst>`__
322. `Further Information <http://www.votca.org>`__
333. `Developers Guide <share/doc/DEVELOPERS_GUIDE.rst>`__
344. `VOTCA\_LANGUAGE\_GUIDE <share/doc/VOTCA_LANGUAGE_GUIDE.rst>`__
355. `Code of Conduct <share/doc/CODE_OF_CONDUCT.rst>`__
36
37You find the VOTCA-CTP repository
38`here <https://gitlab.mpcdf.mpg.de/votca/votca>`__
39
40.. |Codacy Badge| image:: https://app.codacy.com/project/badge/Grade/b5567bfcf2c8411a8057c47fa7126781
41   :target: https://www.codacy.com/gh/votca/votca?utm_source=github.com&utm_medium=referral&utm_content=votca/votca&utm_campaign=Badge_Grade
42.. |CI| image:: https://github.com/votca/votca/workflows/CI/badge.svg?branch=master
43   :target: https://github.com/votca/votca/actions?query=workflow%3ACI+branch%3Amaster
44.. |Docker| image:: https://github.com/votca/votca/workflows/Docker/badge.svg?branch=master
45   :target: https://github.com/votca/votca/actions?query=workflow%3ADocker+branch%3Amaster
46.. |DOI| image:: https://zenodo.org/badge/75022030.svg
47   :target: https://zenodo.org/badge/latestdoi/75022030
48